3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-benzoic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)C)C

InChI

InChI=1S/C16H17NO4S/c1-10-5-7-14(8-12(10)3)22(20,21)17-15-9-13(16(18)19)6-4-11(15)2/h4-9,17H,1-3H3,(H,18,19)